Scientific Poster: Translating Favorable ADME Profile of a Lead Compound into Virtual Analogs in Restricted Physicochemical Space
21 August 2014
This poster presents a novel computational platform to aid lead optimization projects that are directed towards analogs that have favorable ADME profiles and are devoid of safety concerns whilst retaining target activity. This is achieved by generating virtual analog libraries in the physicochemical space regions compatible with the desired biological characteristics.